N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide

C16H25ClN2O2 — CID 28995438

IUPACN-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
SMILESCC(C)CCCOCCCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H25ClN2O2/c1-12(2)5-3-9-21-10-4-6-16(20)19-15-11-13(17)7-8-14(15)18/h7-8,11-12H,3-6,9-10,18H2,1-2H3,(H,19,20)
InChIKeyHDUAPKNBJXCNOQ-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.09
Rot. Bonds9

About N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide

N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide (PubChem CID 28995438) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
PubChem CID28995438
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
SMILESCC(C)CCCOCCCC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C16H25ClN2O2/c1-12(2)5-3-9-21-10-4-6-16(20)19-15-11-13(17)7-8-14(15)18/h7-8,11-12H,3-6,9-10,18H2,1-2H3,(H,19,20)
InChIKeyHDUAPKNBJXCNOQ-UHFFFAOYSA-N
XLogP4.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
CID 43127174
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide
CID 28534738
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
N-(2-amino-5-chlorophenyl)-2-heptoxyacetamide
CID 43127087
N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81036999

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide (CID 28995438) is N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide is CC(C)CCCOCCCC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide?
The InChIKey is HDUAPKNBJXCNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-12(2)5-3-9-21-10-4-6-16(20)19-15-11-13(17)7-8-14(15)18/h7-8,11-12H,3-6,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide?
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide has a molecular weight of 312.84 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide is sourced from PubChem (CID 28995438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).